[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]boronic acid

Systemtic Name: [6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]boronic acid Openeye Name: [6-[4-(1-adamantylsulfanyl)phenyl]-2-naphthyl]boronic acid CAS Name: [6-[4-(1-adamantylthio)phenyl]-2-naphthalenyl]boronic acid IUPAC Name: [6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]boronic acid Traditional Name: [6-[4-(1-adamantylthio)phenyl]-2-naphthyl]boronic acid Formula: C26H27BO2S MolecularWeight: 414.36738

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)SC45CC6CC(C4)CC(C6)C5)(O)O

Isomeric SMILES

B(C1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)SC45CC6CC(C4)CC(C6)C5)(O)O

InChI

InChI=1S/C26H27BO2S/c28-27(29)24-6-3-22-12-21(1-2-23(22)13-24)20-4-7-25(8-5-20)30-26-14-17-9-18(15-26)11-19(10-17)16-26/h1-8,12-13,17-19,28-29H,9-11,14-16H2